4XJU
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 4-acetamido-2-fluoro-3-hydroxy-6-[1,2-dihydroxyethyl]-7,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004308 | molecular_function | exo-alpha-sialidase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005975 | biological_process | carbohydrate metabolic process |
| A | 0006689 | biological_process | ganglioside catabolic process |
| A | 0009313 | biological_process | oligosaccharide catabolic process |
| A | 0016020 | cellular_component | membrane |
| A | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| A | 0043231 | cellular_component | intracellular membrane-bounded organelle |
| A | 0052794 | molecular_function | exo-alpha-(2->3)-sialidase activity |
| A | 0052795 | molecular_function | exo-alpha-(2->6)-sialidase activity |
| A | 0052796 | molecular_function | exo-alpha-(2->8)-sialidase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 701 |
| Chain | Residue |
| A | THR251 |
| A | GLN494 |
| A | THR657 |
| A | HOH1157 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 702 |
| Chain | Residue |
| A | ARG129 |
| A | VAL166 |
| A | ARG310 |
| A | SER682 |
| A | HOH802 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 703 |
| Chain | Residue |
| A | ASP151 |
| A | ASP154 |
| A | ALA214 |
| A | SER216 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 704 |
| Chain | Residue |
| A | ALA95 |
| A | GLU194 |
| A | ASN376 |
| A | LEU450 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue PO4 A 705 |
| Chain | Residue |
| A | LYS98 |
| A | ASN99 |
| A | ARG117 |
| A | ARG193 |
| A | LYS335 |
| A | ASN502 |
| A | ASP520 |
| site_id | AC6 |
| Number of Residues | 17 |
| Details | binding site for residue 19D A 706 |
| Chain | Residue |
| A | ARG245 |
| A | ILE246 |
| A | ARG264 |
| A | ASP270 |
| A | ILE326 |
| A | ASP327 |
| A | ASP344 |
| A | ASN352 |
| A | TYR489 |
| A | THR539 |
| A | ARG557 |
| A | ARG619 |
| A | TYR653 |
| A | TRP674 |
| A | HOH1048 |
| A | HOH1078 |
| A | HOH907 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton acceptor => ECO:0000250 |
| Chain | Residue | Details |
| A | ASP270 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | ACT_SITE: ACT_SITE => ECO:0000255 |
| Chain | Residue | Details |
| A | GLU541 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | ACT_SITE: Nucleophile => ECO:0000250 |
| Chain | Residue | Details |
| A | TYR653 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000250 |
| Chain | Residue | Details |
| A | ARG245 | |
| A | ARG557 | |
| A | ARG619 |
